CID 10803537

4,4,5,5,6,6,7,7,7-nonafluoroheptanoic acid

Structural Information

Molecular Formula
C7H5F9O2
SMILES
C(CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(=O)O
InChI
InChI=1S/C7H5F9O2/c8-4(9,2-1-3(17)18)5(10,11)6(12,13)7(14,15)16/h1-2H2,(H,17,18)
InChIKey
QWHCZVLZUPZGSI-UHFFFAOYSA-N
Compound name
4,4,5,5,6,6,7,7,7-nonafluoroheptanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

84
Patents

292.0146 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.02188 184.6
[M+Na]+ 315.00382 185.1
[M+NH4]+ 310.04842 183.7
[M+K]+ 330.97776 182.9
[M-H]- 291.00732 175.9
[M+Na-2H]- 312.98927 181.1
[M]+ 292.01405 181.8
[M]- 292.01515 181.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe